SCHEMBL5186269

SCHEMBL5186269

NC(=O)c1cc2ccccc2n1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 13/20 0.51
CCR2 P41597 2/20 0.42
DAO P14920 1/20 0.41
SLC9A1 P19634 1/20 0.41
MCL1 Q07820 1/20 0.41
F10 P00742 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PLA2G2A P14555 5/20 0.38
PLA2G5 P39877 4/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5002608 0.86 DAO (0.54) PLA2G10CCR2DAOMCL1ALDH1A1
SCHEMBL30844614 0.86 DAO (0.54) PLA2G10CCR2DAOMCL1ALDH1A1
SCHEMBL4102690 0.81 PLA2G10 (0.49) PLA2G10CCR2DAOSLC9A1MCL1
SCHEMBL28678163 0.79 NOD2 (0.57) F10ALDH1A1TSHR
SCHEMBL28732915 0.78 PLA2G10 (0.56) PLA2G10CCR2DAOSLC9A1MCL1
SCHEMBL19691145 0.74 PLA2G10 (0.51) PLA2G10CCR2DAOSLC9A1MCL1
SCHEMBL7958583 0.74 PLA2G10 (0.51) PLA2G10CCR2DAOMCL1F10
SCHEMBL2830160 0.73 PLA2G10 (0.54) PLA2G10CCR2DAOSLC9A1MCL1
SCHEMBL7670332 0.72 DAO (0.70) PLA2G10CCR2DAOSLC9A1MCL1
SCHEMBL4103400 0.72 PLA2G10 (0.53) PLA2G10CCR2DAOSLC9A1MCL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797086-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
WO-2006032509-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed